psi4 / psi4
Files Coverage
core.cc 80.03%
create_new_plugin.cc 1.08%
export_benchmarks.cc 100.00%
export_blas_lapack.cc 100.00%
export_cubeprop.cc 100.00%
export_diis.cc 100.00%
export_fock.cc 97.71%
export_functional.cc 92.02%
export_mints.cc 98.83%
export_misc.cc 100.00%
export_oeprop.cc 100.00%
export_options.cc 100.00%
export_pcm.cc 100.00%
export_plugins.cc 26.09%
export_psio.cc 100.00%
export_trans.cc 100.00%
export_wavefunction.cc 100.00%
psi4/adc/adc.cc 92.86%
psi4/adc/adc_main.cc 100.00%
psi4/adc/amps_write.cc 100.00%
psi4/adc/compute_energy.cc 98.75%
psi4/adc/construct_sigma.cc 98.18%
psi4/adc/denominator.cc 97.37%
psi4/adc/diagonalize.cc 100.00%
psi4/adc/differentiation.cc 100.00%
psi4/adc/init_tensors.cc 100.00%
psi4/adc/prepare_tensors.cc 99.23%
psi4/cc/amps.cc 75.29%
psi4/cc/ccdensity/G.cc 100.00%
psi4/cc/ccdensity/Gabcd.cc 92.41%
psi4/cc/ccdensity/Gciab.cc 99.05%
psi4/cc/ccdensity/Gibja.cc 99.00%
psi4/cc/ccdensity/Gijab.cc 100.00%
psi4/cc/ccdensity/Gijab_RHF.cc 100.00%
psi4/cc/ccdensity/Gijab_ROHF.cc 99.21%
psi4/cc/ccdensity/Gijab_UHF.cc 99.23%
psi4/cc/ccdensity/Gijka.cc 100.00%
psi4/cc/ccdensity/Gijkl.cc 100.00%
psi4/cc/ccdensity/Iab.cc 100.00%
psi4/cc/ccdensity/Iai.cc 100.00%
psi4/cc/ccdensity/Iia.cc 100.00%
psi4/cc/ccdensity/Iij.cc 100.00%
psi4/cc/ccdensity/MOInfo.h 100.00%
psi4/cc/ccdensity/Params.h 100.00%
psi4/cc/ccdensity/V.cc 100.00%
psi4/cc/ccdensity/V_cc2.cc 54.17%
psi4/cc/ccdensity/add_core_ROHF.cc 100.00%
psi4/cc/ccdensity/add_ref.cc 0.00%
psi4/cc/ccdensity/add_ref_RHF.cc 100.00%
psi4/cc/ccdensity/add_ref_ROHF.cc 100.00%
psi4/cc/ccdensity/add_ref_UHF.cc 100.00%
psi4/cc/ccdensity/ael.cc 0.00%
psi4/cc/ccdensity/build_A.cc 100.00%
psi4/cc/ccdensity/build_A_RHF.cc 100.00%
psi4/cc/ccdensity/build_A_ROHF.cc 100.00%
psi4/cc/ccdensity/build_A_UHF.cc 100.00%
psi4/cc/ccdensity/build_X.cc 100.00%
psi4/cc/ccdensity/build_Z.cc 100.00%
psi4/cc/ccdensity/build_Z_RHF.cc 100.00%
psi4/cc/ccdensity/build_Z_ROHF.cc 100.00%
psi4/cc/ccdensity/build_Z_UHF.cc 95.24%
psi4/cc/ccdensity/build_ex_tdensity.cc 50.19%
psi4/cc/ccdensity/cache.cc 65.56%
psi4/cc/ccdensity/ccdensity.cc 98.23%
psi4/cc/ccdensity/classify.cc 0.00%
psi4/cc/ccdensity/deanti.cc 100.00%
psi4/cc/ccdensity/deanti_RHF.cc 46.40%
psi4/cc/ccdensity/deanti_ROHF.cc 57.77%
psi4/cc/ccdensity/deanti_UHF.cc 27.43%
psi4/cc/ccdensity/distribute.cc 0.00%
psi4/cc/ccdensity/dump_RHF.cc 100.00%
psi4/cc/ccdensity/dump_ROHF.cc 100.00%
psi4/cc/ccdensity/dump_UHF.cc 100.00%
psi4/cc/ccdensity/energy.cc 11.11%
psi4/cc/ccdensity/energy_RHF.cc 0.83%
psi4/cc/ccdensity/energy_ROHF.cc 0.53%
psi4/cc/ccdensity/energy_UHF.cc 0.49%
psi4/cc/ccdensity/ex_oscillator_strength.cc 57.50%
psi4/cc/ccdensity/ex_rotational_strength.cc 100.00%
psi4/cc/ccdensity/ex_sort_td_rohf.cc 99.15%
psi4/cc/ccdensity/ex_sort_td_uhf.cc 0.77%
psi4/cc/ccdensity/ex_td_cleanup.cc 100.00%
psi4/cc/ccdensity/ex_td_print.cc 100.00%
psi4/cc/ccdensity/ex_td_setup.cc 50.58%
psi4/cc/ccdensity/ex_tdensity.cc 64.29%
psi4/cc/ccdensity/ex_tdensity_intermediates.cc 58.21%
psi4/cc/ccdensity/file_build.cc 0.00%
psi4/cc/ccdensity/fold.cc 100.00%
psi4/cc/ccdensity/fold_RHF.cc 52.21%
psi4/cc/ccdensity/fold_ROHF.cc 66.47%
psi4/cc/ccdensity/fold_UHF.cc 67.06%
psi4/cc/ccdensity/get_frozen.cc 0.00%
psi4/cc/ccdensity/get_moinfo.cc 97.30%
psi4/cc/ccdensity/get_params.cc 87.88%
psi4/cc/ccdensity/get_rho_params.cc 91.03%
psi4/cc/ccdensity/get_td_params.cc 49.38%
psi4/cc/ccdensity/globals.h 100.00%
psi4/cc/ccdensity/idx_error.cc 0.00%
psi4/cc/ccdensity/idx_permute.cc 0.00%
psi4/cc/ccdensity/kinetic.cc 100.00%
psi4/cc/ccdensity/lag.cc 100.00%
psi4/cc/ccdensity/ltdensity.cc 50.08%
psi4/cc/ccdensity/ltdensity_intermediates.cc 57.82%
psi4/cc/ccdensity/norm.cc 4.46%
psi4/cc/ccdensity/onepdm.cc 100.00%
psi4/cc/ccdensity/oscillator_strength.cc 55.56%
psi4/cc/ccdensity/relax_D.cc 100.00%
psi4/cc/ccdensity/relax_I.cc 100.00%
psi4/cc/ccdensity/relax_I_RHF.cc 100.00%
psi4/cc/ccdensity/relax_I_ROHF.cc 100.00%
psi4/cc/ccdensity/relax_I_UHF.cc 100.00%
psi4/cc/ccdensity/rotational_strength.cc 100.00%
psi4/cc/ccdensity/rtdensity.cc 50.42%
psi4/cc/ccdensity/setup_LR.cc 100.00%
psi4/cc/ccdensity/sortI.cc 100.00%
psi4/cc/ccdensity/sortI_RHF.cc 100.00%
psi4/cc/ccdensity/sortI_ROHF.cc 100.00%
psi4/cc/ccdensity/sortI_UHF.cc 100.00%
psi4/cc/ccdensity/sort_ltd_rohf.cc 100.00%
psi4/cc/ccdensity/sort_ltd_uhf.cc 0.88%
psi4/cc/ccdensity/sort_rtd_rohf.cc 100.00%
psi4/cc/ccdensity/sort_rtd_uhf.cc 0.87%
psi4/cc/ccdensity/sortone.cc 100.00%
psi4/cc/ccdensity/sortone_RHF.cc 100.00%
psi4/cc/ccdensity/sortone_ROHF.cc 100.00%
psi4/cc/ccdensity/sortone_UHF.cc 100.00%
psi4/cc/ccdensity/td_cleanup.cc 80.00%
psi4/cc/ccdensity/td_print.cc 100.00%
psi4/cc/ccdensity/td_setup.cc 50.58%
psi4/cc/ccdensity/tdensity.cc 61.54%
psi4/cc/ccdensity/transL.cc 100.00%
psi4/cc/ccdensity/transdip.cc 100.00%
psi4/cc/ccdensity/transp.cc 100.00%
psi4/cc/ccdensity/twopdm.cc 100.00%
psi4/cc/ccdensity/x_Gabcd.cc 100.00%
psi4/cc/ccdensity/x_Gciab.cc 96.33%
psi4/cc/ccdensity/x_Gciab_uhf.cc 94.11%
psi4/cc/ccdensity/x_Gibja.cc 83.48%
psi4/cc/ccdensity/x_Gibja_uhf.cc 83.33%
psi4/cc/ccdensity/x_Gijab.cc 91.34%
psi4/cc/ccdensity/x_Gijab_uhf.cc 91.31%
psi4/cc/ccdensity/x_Gijka.cc 95.92%
psi4/cc/ccdensity/x_Gijka_uhf.cc 95.89%
psi4/cc/ccdensity/x_Gijkl.cc 100.00%
psi4/cc/ccdensity/x_V.cc 100.00%
psi4/cc/ccdensity/x_oe_intermediates.cc 100.00%
psi4/cc/ccdensity/x_oe_intermediates_rhf.cc 22.43%
psi4/cc/ccdensity/x_onepdm.cc 100.00%
psi4/cc/ccdensity/x_onepdm_uhf.cc 64.78%
psi4/cc/ccdensity/x_te_intermediates.cc 100.00%
psi4/cc/ccdensity/x_te_intermediates_rhf.cc 31.73%
psi4/cc/ccdensity/x_xi1.cc 74.18%
psi4/cc/ccdensity/x_xi1_connected.cc 100.00%
psi4/cc/ccdensity/x_xi1_rhf.cc 76.61%
psi4/cc/ccdensity/x_xi1_uhf.cc 71.36%
psi4/cc/ccdensity/x_xi2.cc 72.56%
psi4/cc/ccdensity/x_xi2_rhf.cc 89.31%
psi4/cc/ccdensity/x_xi2_uhf.cc 87.69%
psi4/cc/ccdensity/x_xi_check.cc 0.00%
psi4/cc/ccdensity/x_xi_intermediates.cc 100.00%
psi4/cc/ccdensity/zero_pdm.cc 27.41%
psi4/cc/ccenergy/AO_contribute.cc 100.00%
psi4/cc/ccenergy/BT2.cc 87.77%
psi4/cc/ccenergy/BT2_AO.cc 96.84%
psi4/cc/ccenergy/CT2.cc 100.00%
psi4/cc/ccenergy/DT2.cc 100.00%
psi4/cc/ccenergy/ET2.cc 100.00%
psi4/cc/ccenergy/FT2.cc 84.29%
psi4/cc/ccenergy/FT2_cc2.cc 0.00%
psi4/cc/ccenergy/Fae.cc 100.00%
psi4/cc/ccenergy/FaetT2.cc 100.00%
psi4/cc/ccenergy/Fme.cc 100.00%
psi4/cc/ccenergy/Fmi.cc 100.00%
psi4/cc/ccenergy/FmitT2.cc 100.00%
psi4/cc/ccenergy/Local.h 100.00%
psi4/cc/ccenergy/MOInfo.h 100.00%
psi4/cc/ccenergy/Params.h 100.00%
psi4/cc/ccenergy/Wmbej.cc 100.00%
psi4/cc/ccenergy/WmbejT2.cc 100.00%
psi4/cc/ccenergy/Wmnij.cc 100.00%
psi4/cc/ccenergy/WmnijT2.cc 100.00%
psi4/cc/ccenergy/Z.cc 100.00%
psi4/cc/ccenergy/ZT2.cc 100.00%
psi4/cc/ccenergy/amp_write.cc 100.00%
psi4/cc/ccenergy/analyze.cc 1.20%
psi4/cc/ccenergy/cache.cc 65.73%
psi4/cc/ccenergy/cc2_Wabei.cc 52.92%
psi4/cc/ccenergy/cc2_WabeiT2.cc 56.57%
psi4/cc/ccenergy/cc2_WabijT2.cc 0.00%
psi4/cc/ccenergy/cc2_Wmbij.cc 47.34%
psi4/cc/ccenergy/cc2_WmbijT2.cc 57.00%
psi4/cc/ccenergy/cc2_Wmnij.cc 48.98%
psi4/cc/ccenergy/cc2_faeT2.cc 14.00%
psi4/cc/ccenergy/cc2_fmiT2.cc 14.00%
psi4/cc/ccenergy/cc2_t2.cc 100.00%
psi4/cc/ccenergy/cc3.cc 99.28%
psi4/cc/ccenergy/cc3_Wabei.cc 53.04%
psi4/cc/ccenergy/cc3_Wamef.cc 34.25%
psi4/cc/ccenergy/cc3_Wmbij.cc 44.54%
psi4/cc/ccenergy/cc3_Wmnie.cc 34.76%
psi4/cc/ccenergy/cc3_Wmnij.cc 44.75%
psi4/cc/ccenergy/ccenergy.cc 68.81%
psi4/cc/ccenergy/converged.cc 100.00%
psi4/cc/ccenergy/d1diag.cc 100.00%
psi4/cc/ccenergy/d2diag.cc 100.00%
psi4/cc/ccenergy/denom.cc 97.73%
psi4/cc/ccenergy/diagnostic.cc 100.00%
psi4/cc/ccenergy/diis.cc 93.94%
psi4/cc/ccenergy/diis_RHF.cc 100.00%
psi4/cc/ccenergy/diis_ROHF.cc 100.00%
psi4/cc/ccenergy/diis_UHF.cc 100.00%
psi4/cc/ccenergy/dijabT2.cc 98.11%
psi4/cc/ccenergy/energy.cc 100.00%
psi4/cc/ccenergy/fock_build.cc 100.00%
psi4/cc/ccenergy/form_df_ints.cc 0.64%
psi4/cc/ccenergy/get_moinfo.cc 99.53%
psi4/cc/ccenergy/get_params.cc 82.76%
psi4/cc/ccenergy/halftrans.cc 95.74%
psi4/cc/ccenergy/init_amps.cc 99.16%
psi4/cc/ccenergy/lmp2.cc 0.79%
psi4/cc/ccenergy/local.cc 0.67%
psi4/cc/ccenergy/mp2_energy.cc 99.10%
psi4/cc/ccenergy/new_d1diag.cc 100.00%
psi4/cc/ccenergy/pair_energies.cc 76.74%
psi4/cc/ccenergy/priority.cc 100.00%
psi4/cc/ccenergy/rotate.cc 94.67%
psi4/cc/ccenergy/sort_amps.cc 100.00%
psi4/cc/ccenergy/spinad_amps.cc 100.00%
psi4/cc/ccenergy/status.cc 100.00%
psi4/cc/ccenergy/t1.cc 99.19%
psi4/cc/ccenergy/t1_ijab.cc 15.27%
psi4/cc/ccenergy/t2.cc 96.97%
psi4/cc/ccenergy/tau.cc 100.00%
psi4/cc/ccenergy/taut.cc 100.00%
psi4/cc/ccenergy/tsave.cc 100.00%
psi4/cc/ccenergy/update.cc 100.00%
psi4/cc/cceom/FDD.cc 100.00%
psi4/cc/cceom/FSD.cc 100.00%
psi4/cc/cceom/Local.h 100.00%
psi4/cc/cceom/MOInfo.h 100.00%
psi4/cc/cceom/Params.h 100.00%
psi4/cc/cceom/WabefDD.cc 96.64%
psi4/cc/cceom/WabejDS.cc 100.00%
psi4/cc/cceom/WamefSD.cc 100.00%
psi4/cc/cceom/WbmfeDS.cc 100.00%
psi4/cc/cceom/WmaijDS.cc 100.00%
psi4/cc/cceom/WmbejDD.cc 100.00%
psi4/cc/cceom/WmnefDD.cc 100.00%
psi4/cc/cceom/WmnieSD.cc 100.00%
psi4/cc/cceom/WmnijDD.cc 100.00%
psi4/cc/cceom/WnmjeDS.cc 100.00%
psi4/cc/cceom/amp_write.cc 100.00%
psi4/cc/cceom/c_clean.cc 75.00%
psi4/cc/cceom/cache.cc 65.79%
psi4/cc/cceom/cc2_hbar_extra.cc 100.00%
psi4/cc/cceom/cc2_sigma.cc 94.19%
psi4/cc/cceom/cc3_HC1.cc 24.65%
psi4/cc/cceom/cc3_HC1ET1.cc 98.24%
psi4/cc/cceom/cceom.cc 100.00%
psi4/cc/cceom/check_sum.cc 0.00%
psi4/cc/cceom/dgeev_eom.cc 100.00%
psi4/cc/cceom/diag.cc 86.01%
psi4/cc/cceom/diagSS.cc 77.63%
psi4/cc/cceom/follow_root.cc 64.04%
psi4/cc/cceom/form_diagonal.cc 100.00%
psi4/cc/cceom/get_eom_params.cc 74.75%
psi4/cc/cceom/get_moinfo.cc 99.35%
psi4/cc/cceom/get_params.cc 74.44%
psi4/cc/cceom/globals.h 100.00%
psi4/cc/cceom/hbar_extra.cc 100.00%
psi4/cc/cceom/hbar_norms.cc 94.20%
psi4/cc/cceom/local.cc 0.47%
psi4/cc/cceom/local_guess.cc 0.95%
psi4/cc/cceom/norm.cc 49.52%
psi4/cc/cceom/norm_HC1.cc 0.00%
psi4/cc/cceom/overlap.cc 0.71%
psi4/cc/cceom/precondition.cc 53.39%
psi4/cc/cceom/restart.cc 91.96%
psi4/cc/cceom/restart_with_root.cc 55.14%
psi4/cc/cceom/rzero.cc 67.16%
psi4/cc/cceom/schmidt_add.cc 93.27%
psi4/cc/cceom/sigmaCC3.cc 99.24%
psi4/cc/cceom/sigmaCC3_RHF.cc 0.00%
psi4/cc/cceom/sigmaDD.cc 100.00%
psi4/cc/cceom/sigmaDS.cc 100.00%
psi4/cc/cceom/sigmaSD.cc 100.00%
psi4/cc/cceom/sigmaSS.cc 100.00%
psi4/cc/cceom/sigma_full.cc 0.81%
psi4/cc/cceom/sort_C.cc 100.00%
psi4/cc/cceom/sort_amps.cc 0.00%
psi4/cc/cceom/write_Rs.cc 90.00%
psi4/cc/cchbar/F.cc 94.00%
psi4/cc/cchbar/Fai.cc 0.14%
psi4/cc/cchbar/HET1_Wabef.cc 3.31%
psi4/cc/cchbar/MOInfo.h 100.00%
psi4/cc/cchbar/Params.h 100.00%
psi4/cc/cchbar/Wabei.cc 100.00%
psi4/cc/cchbar/Wabei_AAAA_UHF.cc 100.00%
psi4/cc/cchbar/Wabei_ABAB_UHF.cc 100.00%
psi4/cc/cchbar/Wabei_BABA_UHF.cc 100.00%
psi4/cc/cchbar/Wabei_BBBB_UHF.cc 100.00%
psi4/cc/cchbar/Wabei_RHF.cc 79.43%
psi4/cc/cchbar/Wabei_RHF_FT2_a.cc 0.00%
psi4/cc/cchbar/Wabei_ROHF.cc 100.00%
psi4/cc/cchbar/Wabij.cc 0.05%
psi4/cc/cchbar/Wamef.cc 100.00%
psi4/cc/cchbar/Wmbej.cc 100.00%
psi4/cc/cchbar/Wmbij.cc 100.00%
psi4/cc/cchbar/Wmnie.cc 100.00%
psi4/cc/cchbar/cache.cc 65.91%
psi4/cc/cchbar/cc2_Wabei.cc 29.64%
psi4/cc/cchbar/cc2_Wmbej.cc 14.56%
psi4/cc/cchbar/cc2_Wmbij.cc 11.08%
psi4/cc/cchbar/cc2_Zmbej.cc 10.60%
psi4/cc/cchbar/cc3_HET1.cc 51.20%
psi4/cc/cchbar/cchbar.cc 92.31%
psi4/cc/cchbar/get_moinfo.cc 100.00%
psi4/cc/cchbar/get_params.cc 82.35%
psi4/cc/cchbar/globals.h 100.00%
psi4/cc/cchbar/norm_HET1.cc 56.05%
psi4/cc/cchbar/purge.cc 100.00%
psi4/cc/cchbar/reference.cc 1.33%
psi4/cc/cchbar/sort_amps.cc 100.00%
psi4/cc/cchbar/status.cc 20.00%
psi4/cc/cchbar/tau.cc 100.00%
psi4/cc/cchbar/taut.cc 100.00%
psi4/cc/cclambda/BL2_AO.cc 0.00%
psi4/cc/cclambda/DL2.cc 100.00%
psi4/cc/cclambda/FaeL2.cc 100.00%
psi4/cc/cclambda/FmiL2.cc 100.00%
psi4/cc/cclambda/G.cc 100.00%
psi4/cc/cclambda/GL2.cc 100.00%
psi4/cc/cclambda/L1.cc 94.27%
psi4/cc/cclambda/L1FL2.cc 100.00%
psi4/cc/cclambda/L2.cc 100.00%
psi4/cc/cclambda/L3_AAA.cc 0.00%
psi4/cc/cclambda/L3_AAB.cc 0.00%
psi4/cc/cclambda/Lamp_write.cc 100.00%
psi4/cc/cclambda/Lmag.cc 0.00%
psi4/cc/cclambda/Lnorm.cc 98.65%
psi4/cc/cclambda/Local.h 100.00%
psi4/cc/cclambda/Lsave.cc 100.00%
psi4/cc/cclambda/MOInfo.h 100.00%
psi4/cc/cclambda/Params.h 100.00%
psi4/cc/cclambda/WabeiL1.cc 0.00%
psi4/cc/cclambda/WefabL2.cc 95.76%
psi4/cc/cclambda/WejabL2.cc 100.00%
psi4/cc/cclambda/WijmbL2.cc 100.00%
psi4/cc/cclambda/WijmnL2.cc 100.00%
psi4/cc/cclambda/WmbejL2.cc 100.00%
psi4/cc/cclambda/c_clean.cc 75.00%
psi4/cc/cclambda/cache.cc 65.56%
psi4/cc/cclambda/cc2_Gai.cc 18.03%
psi4/cc/cclambda/cc2_L1.cc 38.75%
psi4/cc/cclambda/cc2_L2.cc 100.00%
psi4/cc/cclambda/cc2_faeL2.cc 13.16%
psi4/cc/cclambda/cc2_fmiL2.cc 13.64%
psi4/cc/cclambda/cc2_hbar_extra.cc 100.00%
psi4/cc/cclambda/cc3_l3l1.cc 0.85%
psi4/cc/cclambda/cc3_l3l2.cc 0.10%
psi4/cc/cclambda/cc3_t3x.cc 0.89%
psi4/cc/cclambda/cc3_t3z.cc 0.27%
psi4/cc/cclambda/cclambda.cc 91.95%
psi4/cc/cclambda/check_ortho.cc 97.98%
psi4/cc/cclambda/check_sum.cc 0.00%
psi4/cc/cclambda/converged.cc 100.00%
psi4/cc/cclambda/denom.cc 96.44%
psi4/cc/cclambda/diis.cc 99.64%
psi4/cc/cclambda/dijabL2.cc 98.90%
psi4/cc/cclambda/get_moinfo.cc 100.00%
psi4/cc/cclambda/get_params.cc 74.66%
psi4/cc/cclambda/globals.h 100.00%
psi4/cc/cclambda/halftrans.cc 0.00%
psi4/cc/cclambda/hbar_extra.cc 100.00%
psi4/cc/cclambda/init_amps.cc 97.04%
psi4/cc/cclambda/local.cc 0.68%
psi4/cc/cclambda/ortho_Rs.cc 100.00%
psi4/cc/cclambda/overlap.cc 100.00%
psi4/cc/cclambda/overlap_LAMPS.cc 0.00%
psi4/cc/cclambda/projections.cc 29.30%
psi4/cc/cclambda/pseudoenergy.cc 99.08%
psi4/cc/cclambda/sort_amps.cc 100.00%
psi4/cc/cclambda/spinad_amps.cc 0.00%
psi4/cc/cclambda/status.cc 20.00%
psi4/cc/cclambda/update.cc 100.00%
psi4/cc/ccresponse/HXY.cc 100.00%
psi4/cc/ccresponse/LCX.cc 88.39%
psi4/cc/ccresponse/LHX1Y1.cc 100.00%
psi4/cc/ccresponse/LHX1Y2.cc 100.00%
psi4/cc/ccresponse/LHX2Y2.cc 100.00%
psi4/cc/ccresponse/Local.h 100.00%
psi4/cc/ccresponse/MOInfo.h 100.00%
psi4/cc/ccresponse/Params.h 100.00%
psi4/cc/ccresponse/X1.cc 98.53%
psi4/cc/ccresponse/X2.cc 95.24%
psi4/cc/ccresponse/amp_write.cc 0.81%
psi4/cc/ccresponse/analyze.cc 1.16%
psi4/cc/ccresponse/cache.cc 2.28%
psi4/cc/ccresponse/cc2_LHX1Y1.cc 100.00%
psi4/cc/ccresponse/cc2_LHX1Y2.cc 100.00%
psi4/cc/ccresponse/cc2_X1.cc 98.70%
psi4/cc/ccresponse/cc2_X2.cc 98.59%
psi4/cc/ccresponse/cc2_hbar_extra.cc 100.00%
psi4/cc/ccresponse/cc2_sort_X.cc 100.00%
psi4/cc/ccresponse/ccresponse.cc 81.82%
psi4/cc/ccresponse/compute_X.cc 82.26%
psi4/cc/ccresponse/converged.cc 100.00%
psi4/cc/ccresponse/denom.cc 100.00%
psi4/cc/ccresponse/diis.cc 99.29%
psi4/cc/ccresponse/get_moinfo.cc 65.14%
psi4/cc/ccresponse/get_params.cc 75.34%
psi4/cc/ccresponse/globals.h 100.00%
psi4/cc/ccresponse/hbar_extra.cc 100.00%
psi4/cc/ccresponse/init_X.cc 85.19%
psi4/cc/ccresponse/lambda_residuals.cc 100.00%
psi4/cc/ccresponse/linresp.cc 88.33%
psi4/cc/ccresponse/local.cc 0.69%
psi4/cc/ccresponse/optrot.cc 94.89%
psi4/cc/ccresponse/pertbar.cc 100.00%
psi4/cc/ccresponse/polar.cc 97.80%
psi4/cc/ccresponse/preppert.cc 100.00%
psi4/cc/ccresponse/print_X.cc 0.00%
psi4/cc/ccresponse/pseudopolar.cc 100.00%
psi4/cc/ccresponse/roa.cc 79.67%
psi4/cc/ccresponse/save_X.cc 100.00%
psi4/cc/ccresponse/scatter.cc 0.24%
psi4/cc/ccresponse/sort_X.cc 100.00%
psi4/cc/ccresponse/sort_lamps.cc 100.00%
psi4/cc/ccresponse/sort_pert.cc 100.00%
psi4/cc/ccresponse/update_X.cc 100.00%
psi4/cc/cctriples/ET_AAA.cc 0.00%
psi4/cc/cctriples/ET_AAB.cc 0.00%
psi4/cc/cctriples/ET_ABB.cc 0.00%
psi4/cc/cctriples/ET_BBB.cc 0.00%
psi4/cc/cctriples/ET_RHF.cc 99.58%
psi4/cc/cctriples/ET_UHF_AAA.cc 100.00%
psi4/cc/cctriples/ET_UHF_AAB.cc 100.00%
psi4/cc/cctriples/ET_UHF_ABB.cc 100.00%
psi4/cc/cctriples/ET_UHF_BBB.cc 100.00%
psi4/cc/cctriples/EaT_RHF.cc 100.00%
psi4/cc/cctriples/MOInfo.h 100.00%
psi4/cc/cctriples/Params.h 100.00%
psi4/cc/cctriples/T3_UHF_AAA.cc 100.00%
psi4/cc/cctriples/T3_UHF_AAB.cc 100.00%
psi4/cc/cctriples/T3_UHF_ABC.cc 100.00%
psi4/cc/cctriples/T3_grad_RHF.cc 100.00%
psi4/cc/cctriples/T3_grad_UHF_AAA.cc 100.00%
psi4/cc/cctriples/T3_grad_UHF_AAB.cc 100.00%
psi4/cc/cctriples/T3_grad_UHF_BBA.cc 100.00%
psi4/cc/cctriples/T3_grad_UHF_BBB.cc 100.00%
psi4/cc/cctriples/cache.cc 65.79%
psi4/cc/cctriples/count_ijk.cc 100.00%
psi4/cc/cctriples/get_moinfo.cc 96.24%
psi4/cc/cctriples/globals.h 100.00%
psi4/cc/cctriples/test_abc_loops.cc 0.00%
psi4/cc/cctriples/transpose_integrals.cc 100.00%
psi4/cc/cctriples/triples.cc 99.13%
psi4/cctransort/a_spinad.cc 100.00%
psi4/cctransort/b_spinad.cc 100.00%
psi4/cctransort/c_sort.cc 100.00%
psi4/cctransort/cache.cc 65.73%
psi4/cctransort/cctransort.cc 97.25%
psi4/cctransort/d_sort.cc 100.00%
psi4/cctransort/d_spinad.cc 100.00%
psi4/cctransort/denom.cc 100.00%
psi4/cctransort/e_sort.cc 100.00%
psi4/cctransort/e_spinad.cc 100.00%
psi4/cctransort/f_sort.cc 100.00%
psi4/cctransort/fock.cc 91.95%
psi4/cctransort/memcheck.cc 100.00%
psi4/cctransort/pitzer2qt.cc 100.00%
psi4/cctransort/scf_check.cc 100.00%
psi4/cctransort/sort_tei_rhf.cc 69.49%
psi4/cctransort/sort_tei_uhf.cc 61.45%
psi4/dct/AO_contribute.cc 100.00%
psi4/dct/dct.cc 96.72%
psi4/dct/dct_compute.cc 94.74%
psi4/dct/dct_compute_RHF.cc 30.16%
psi4/dct/dct_compute_UHF.cc 89.57%
psi4/dct/dct_density_RHF.cc 100.00%
psi4/dct/dct_density_UHF.cc 100.00%
psi4/dct/dct_df_tensor.cc 98.87%
psi4/dct/dct_energy_RHF.cc 100.00%
psi4/dct/dct_energy_UHF.cc 100.00%
psi4/dct/dct_gradient.cc 100.00%
psi4/dct/dct_gradient_RHF.cc 100.00%
psi4/dct/dct_gradient_UHF.cc 99.97%
psi4/dct/dct_integrals_RHF.cc 99.53%
psi4/dct/dct_integrals_UHF.cc 99.82%
psi4/dct/dct_intermediates_RHF.cc 100.00%
psi4/dct/dct_intermediates_UHF.cc 100.00%
psi4/dct/dct_lambda_RHF.cc 97.62%
psi4/dct/dct_lambda_UHF.cc 98.98%
psi4/dct/dct_memory.cc 100.00%
psi4/dct/dct_mp2_RHF.cc 100.00%
psi4/dct/dct_mp2_UHF.cc 100.00%
psi4/dct/dct_oo_RHF.cc 99.72%
psi4/dct/dct_oo_UHF.cc 95.59%
psi4/dct/dct_qc.cc 85.38%
psi4/dct/dct_relaxed_density_UHF.cc 100.00%
psi4/dct/dct_scf_RHF.cc 79.72%
psi4/dct/dct_scf_UHF.cc 68.47%
psi4/dct/dct_sort_mo_tpdm.cc 79.38%
psi4/dct/dct_tau_RHF.cc 86.71%
psi4/dct/dct_tau_UHF.cc 100.00%
psi4/dct/dct_triples.cc 99.14%
psi4/dct/dct_validate.cc 67.31%
psi4/dct/half_transform.cc 93.88%
psi4/dct/main.cc 100.00%
psi4/detci/b2brepl.cc 0.48%
psi4/detci/calc_d.cc 100.00%
psi4/detci/civect.cc 73.94%
psi4/detci/ciwave.cc 88.41%
psi4/detci/compute_cc.cc 50.00%
psi4/detci/compute_mpn.cc 73.51%
psi4/detci/detci.cc 100.00%
psi4/detci/diag_h.cc 46.32%
psi4/detci/form_ov.cc 2.50%
psi4/detci/get_mo_info.cc 85.95%
psi4/detci/h0block.cc 57.24%
psi4/detci/import_vector.cc 0.00%
psi4/detci/ints.cc 79.07%
psi4/detci/misc.cc 61.54%
psi4/detci/mitrush_iter.cc 11.34%
psi4/detci/odometer.cc 52.78%
psi4/detci/og_addr.cc 94.92%
psi4/detci/olsengraph.cc 77.90%
psi4/detci/olsenupdt.cc 36.67%
psi4/detci/opdm.cc 84.05%
psi4/detci/params.cc 76.96%
psi4/detci/printing.cc 95.16%
psi4/detci/s1v.cc 63.46%
psi4/detci/s2v.cc 63.64%
psi4/detci/s3_block_bz.cc 0.82%
psi4/detci/s3v.cc 50.00%
psi4/detci/sem.cc 67.28%
psi4/detci/sem_test.cc 0.61%
psi4/detci/set_ciblks.cc 74.23%
psi4/detci/sigma.cc 63.54%
psi4/detci/slater.cc 100.00%
psi4/detci/slater_matel.cc 93.53%
psi4/detci/slaterd.cc 20.55%
psi4/detci/slaterd.h 100.00%
psi4/detci/stringlist.cc 90.64%
psi4/detci/structs.h 100.00%
psi4/detci/tpdm.cc 89.55%
psi4/detci/vector.cc 88.89%
psi4/dfep2/dfep2.cc 88.19%
psi4/dfep2/dfep2.h 100.00%
psi4/dfmp2/corr_grad.cc 91.73%
psi4/dfmp2/corr_grad.h 75.00%
psi4/dfmp2/mp2.cc 92.68%
psi4/dfmp2/wrapper.cc 91.67%
psi4/dfocc/approx_diag_mohess_oo.cc 98.88%
psi4/dfocc/approx_diag_mohess_vo.cc 98.99%
psi4/dfocc/back_trans.cc 100.00%
psi4/dfocc/cc_energy.cc 46.45%
psi4/dfocc/ccd_3index_intr.cc 100.00%
psi4/dfocc/ccd_3index_intr_low.cc 7.14%
psi4/dfocc/ccd_F_intr.cc 100.00%
psi4/dfocc/ccd_F_intr_low.cc 7.69%
psi4/dfocc/ccd_W_intr.cc 74.07%
psi4/dfocc/ccd_W_intr_low.cc 0.42%
psi4/dfocc/ccd_iterations.cc 87.10%
psi4/dfocc/ccd_iterations_low.cc 1.89%
psi4/dfocc/ccd_opdm.cc 89.29%
psi4/dfocc/ccd_pdm_3index_intr.cc 100.00%
psi4/dfocc/ccd_t2_amps.cc 90.38%
psi4/dfocc/ccd_t2_amps_low.cc 1.54%
psi4/dfocc/ccd_tpdm.cc 100.00%
psi4/dfocc/ccdl_3index_intr.cc 100.00%
psi4/dfocc/ccdl_W_intr.cc 71.79%
psi4/dfocc/ccdl_iterations.cc 91.11%
psi4/dfocc/ccdl_l2_amps.cc 92.42%
psi4/dfocc/ccl_energy.cc 34.29%
psi4/dfocc/ccsd_3index_intr.cc 100.00%
psi4/dfocc/ccsd_3index_intr_low.cc 1.15%
psi4/dfocc/ccsd_F_intr.cc 100.00%
psi4/dfocc/ccsd_F_intr_low.cc 2.63%
psi4/dfocc/ccsd_W_intr.cc 48.98%
psi4/dfocc/ccsd_W_intr_low.cc 0.21%
psi4/dfocc/ccsd_iterations.cc 87.67%
psi4/dfocc/ccsd_iterations_low.cc 1.54%
psi4/dfocc/ccsd_opdm.cc 89.01%
psi4/dfocc/ccsd_pdm_3index_intr.cc 100.00%
psi4/dfocc/ccsd_t1_amps.cc 100.00%
psi4/dfocc/ccsd_t1_amps_low.cc 2.38%
psi4/dfocc/ccsd_t2_amps.cc 84.82%
psi4/dfocc/ccsd_t2_amps_low.cc 0.96%
psi4/dfocc/ccsd_tpdm.cc 100.00%
psi4/dfocc/ccsd_triples.cc 45.57%
psi4/dfocc/ccsdl_3index_intr.cc 100.00%
psi4/dfocc/ccsdl_W_intr.cc 80.42%
psi4/dfocc/ccsdl_iterations.cc 91.74%
psi4/dfocc/ccsdl_l1_amps.cc 100.00%
psi4/dfocc/ccsdl_l2_amps.cc 94.64%
psi4/dfocc/cd_ints.cc 95.79%
psi4/dfocc/conv_mo_tei.cc 0.00%
psi4/dfocc/conv_mo_tei_direct.cc 6.44%
psi4/dfocc/conv_mo_tei_ref_direct.cc 11.30%
psi4/dfocc/df_corr.cc 27.11%
psi4/dfocc/df_ref.cc 52.67%
psi4/dfocc/dfgrad.cc 100.00%
psi4/dfocc/dfocc.cc 89.73%
psi4/dfocc/diagonal_mohess_oo.cc 0.73%
psi4/dfocc/diagonal_mohess_vo.cc 0.57%
psi4/dfocc/diis.cc 78.95%
psi4/dfocc/effective_mograd.cc 93.84%
psi4/dfocc/ekt.cc 0.00%
psi4/dfocc/ekt.h 0.00%
psi4/dfocc/fock.cc 98.10%
psi4/dfocc/fock_so.cc 0.00%
psi4/dfocc/get_moinfo.cc 95.36%
psi4/dfocc/gfock_oo.cc 99.12%
psi4/dfocc/gfock_ov.cc 99.05%
psi4/dfocc/gfock_vo.cc 98.97%
psi4/dfocc/gfock_vv.cc 96.86%
psi4/dfocc/gftilde_vv.cc 0.53%
psi4/dfocc/idp.cc 68.28%
psi4/dfocc/kappa_diag_hess.cc 36.42%
psi4/dfocc/kappa_orb_resp.cc 0.34%
psi4/dfocc/kappa_orb_resp_pcg.cc 29.55%
psi4/dfocc/lccd_W_intr.cc 100.00%
psi4/dfocc/lccd_iterations.cc 89.66%
psi4/dfocc/lccd_pdm_3index_intr.cc 0.23%
psi4/dfocc/lccd_t2_amps.cc 100.00%
psi4/dfocc/main.cc 100.00%
psi4/dfocc/manager.cc 73.61%
psi4/dfocc/manager_cd.cc 19.34%
psi4/dfocc/mograd.cc 90.00%
psi4/dfocc/mp2_direct.cc 24.67%
psi4/dfocc/mp3_W_intr.cc 100.00%
psi4/dfocc/mp3_pdm_3index_intr.cc 100.00%
psi4/dfocc/occ_iterations.cc 61.86%
psi4/dfocc/olccd_tpdm.cc 0.27%
psi4/dfocc/omp2_opdm.cc 76.19%
psi4/dfocc/omp2_tpdm.cc 100.00%
psi4/dfocc/omp3_opdm.cc 83.02%
psi4/dfocc/omp3_tpdm.cc 100.00%
psi4/dfocc/pair_index.cc 75.47%
psi4/dfocc/prepare4grad.cc 48.97%
psi4/dfocc/properties.cc 1.75%
psi4/dfocc/qchf.cc 0.21%
psi4/dfocc/s2_response.cc 0.56%
psi4/dfocc/semi_canonic.cc 0.98%
psi4/dfocc/separable_tpdm.cc 93.03%
psi4/dfocc/t1_1st_sc.cc 100.00%
psi4/dfocc/t2_1st_gen.cc 97.08%
psi4/dfocc/t2_1st_sc.cc 95.21%
psi4/dfocc/t2_2nd_gen.cc 100.00%
psi4/dfocc/t2_2nd_sc.cc 100.00%
psi4/dfocc/t2_mp2_direct.cc 88.46%
psi4/dfocc/tensors.cc 33.69%
psi4/dfocc/tensors.h 100.00%
psi4/dfocc/tpdm_tilde.cc 100.00%
psi4/dfocc/update_hfmo.cc 1.43%
psi4/dfocc/update_mo.cc 87.83%
psi4/dfocc/z_vector.cc 0.51%
psi4/dfocc/z_vector_pcg.cc 95.00%
psi4/fisapt/fisapt.cc 92.00%
psi4/fisapt/fisapt.h 100.00%
psi4/fisapt/local2.cc 68.85%
psi4/fisapt/local2.h 100.00%
psi4/fnocc/blas.cc 37.21%
psi4/fnocc/blas.h 71.43%
psi4/fnocc/ccsd.cc 84.36%
psi4/fnocc/coupled_pair.cc 87.94%
psi4/fnocc/df_cc_residual.cc 75.84%
psi4/fnocc/df_ccsd.cc 84.21%
psi4/fnocc/df_scs.cc 81.82%
psi4/fnocc/df_t1_transformation.cc 100.00%
psi4/fnocc/diis.cc 94.07%
psi4/fnocc/fnocc.cc 100.00%
psi4/fnocc/frozen_natural_orbitals.cc 71.23%
psi4/fnocc/linear.cc 87.93%
psi4/fnocc/lowmemory_triples.cc 90.70%
psi4/fnocc/mp2.cc 2.08%
psi4/fnocc/opdm.cc 95.42%
psi4/fnocc/quadratic.cc 82.16%
psi4/fnocc/sortintegrals.cc 57.75%
psi4/fnocc/triples.cc 0.37%
psi4/lib3index/cholesky.cc 50.00%
psi4/lib3index/cholesky.h 100.00%
psi4/lib3index/denominator.cc 17.81%
psi4/lib3index/denominator.h 60.00%
psi4/lib3index/dfhelper.cc 76.95%
psi4/lib3index/dfhelper.h 65.38%
psi4/lib3index/dftensor.cc 40.23%
psi4/lib3index/dftensor.h 16.67%
psi4/lib3index/fittingmetric.cc 27.46%
psi4/libciomr/block_matrix.cc 73.91%
psi4/libciomr/eigsort.cc 23.94%
psi4/libciomr/eivout.cc 3.70%
psi4/libciomr/flin.cc 100.00%
psi4/libciomr/init_array.cc 62.50%
psi4/libciomr/init_matrix.cc 71.43%
psi4/libciomr/int_array.cc 37.25%
psi4/libciomr/long_int_array.cc 60.00%
psi4/libciomr/lubksb.cc 100.00%
psi4/libciomr/ludcmp.cc 94.74%
psi4/libciomr/print_array.cc 3.57%
psi4/libciomr/print_mat.cc 64.71%
psi4/libciomr/rsp.cc 2.44%
psi4/libciomr/sq_rsp.cc 90.70%
psi4/libciomr/sq_to_tri.cc 100.00%
psi4/libciomr/tqli.cc 1.69%
psi4/libciomr/tred2.cc 0.00%
psi4/libciomr/tri_to_sq.cc 0.00%
psi4/libciomr/tstart.cc 100.00%
psi4/libciomr/zero.cc 100.00%
psi4/libcubeprop/csg.cc 0.21%
psi4/libcubeprop/csg.h 0.00%
psi4/libcubeprop/cubeprop.cc 0.62%
psi4/libcubeprop/cubeprop.h 0.00%
psi4/libdiis/diisentry.cc 92.98%
psi4/libdiis/diisentry.h 92.86%
psi4/libdiis/diismanager.cc 89.22%
psi4/libdiis/diismanager.h 0.00%
psi4/libdisp/dispersion.cc 68.75%
psi4/libdisp/dispersion.h 0.00%
psi4/libdpd/3d_sort.cc 92.22%
psi4/libdpd/4mat_irrep_print.cc 2.86%
psi4/libdpd/T3_AAA.cc 100.00%
psi4/libdpd/T3_AAB.cc 100.00%
psi4/libdpd/T3_RHF.cc 100.00%
psi4/libdpd/T3_RHF_ic.cc 0.00%
psi4/libdpd/block_matrix.cc 45.45%
psi4/libdpd/buf4_axpbycz.cc 100.00%
psi4/libdpd/buf4_axpy.cc 100.00%
psi4/libdpd/buf4_close.cc 100.00%
psi4/libdpd/buf4_copy.cc 61.70%
psi4/libdpd/buf4_dirprd.cc 100.00%
psi4/libdpd/buf4_dot.cc 66.67%
psi4/libdpd/buf4_dot_self.cc 100.00%
psi4/libdpd/buf4_dump.cc 96.77%
psi4/libdpd/buf4_init.cc 100.00%
psi4/libdpd/buf4_mat_irrep_close.cc 100.00%
psi4/libdpd/buf4_mat_irrep_close_block.cc 63.64%
psi4/libdpd/buf4_mat_irrep_init.cc 100.00%
psi4/libdpd/buf4_mat_irrep_init_block.cc 100.00%
psi4/libdpd/buf4_mat_irrep_rd.cc 80.63%
psi4/libdpd/buf4_mat_irrep_rd_block.cc 50.20%
psi4/libdpd/buf4_mat_irrep_row_close.cc 100.00%
psi4/libdpd/buf4_mat_irrep_row_init.cc 100.00%
psi4/libdpd/buf4_mat_irrep_row_rd.cc 9.92%
psi4/libdpd/buf4_mat_irrep_row_wrt.cc 20.69%
psi4/libdpd/buf4_mat_irrep_row_zero.cc 100.00%
psi4/libdpd/buf4_mat_irrep_shift13.cc 94.29%
psi4/libdpd/buf4_mat_irrep_shift31.cc 95.56%
psi4/libdpd/buf4_mat_irrep_wrt.cc 66.39%
psi4/libdpd/buf4_mat_irrep_wrt_block.cc 38.53%
psi4/libdpd/buf4_print.cc 4.00%
psi4/libdpd/buf4_scm.cc 88.89%
psi4/libdpd/buf4_scmcopy.cc 100.00%
psi4/libdpd/buf4_sort.cc 84.69%
psi4/libdpd/buf4_sort_axpy.cc 57.25%
psi4/libdpd/buf4_sort_ooc.cc 6.98%
psi4/libdpd/buf4_symm.cc 100.00%
psi4/libdpd/buf4_symm2.cc 100.00%
psi4/libdpd/buf4_trace.cc 100.00%
psi4/libdpd/cc3_sigma_RHF.cc 53.78%
psi4/libdpd/cc3_sigma_RHF_ic.cc 0.19%
psi4/libdpd/cc3_sigma_UHF.cc 100.00%
psi4/libdpd/close.cc 100.00%
psi4/libdpd/contract222.cc 92.00%
psi4/libdpd/contract244.cc 60.85%
psi4/libdpd/contract422.cc 100.00%
psi4/libdpd/contract424.cc 69.15%
psi4/libdpd/contract442.cc 82.69%
psi4/libdpd/contract444.cc 87.37%
psi4/libdpd/contract444_df.cc 1.01%
psi4/libdpd/dot13.cc 100.00%
psi4/libdpd/dot14.cc 94.34%
psi4/libdpd/dot23.cc 79.25%
psi4/libdpd/dot24.cc 100.00%
psi4/libdpd/dpd.h 75.00%
psi4/libdpd/dpdmospace.cc 23.08%
psi4/libdpd/dpdmospace.h 57.14%
psi4/libdpd/error.cc 16.67%
psi4/libdpd/file2_axpbycz.cc 100.00%
psi4/libdpd/file2_axpy.cc 100.00%
psi4/libdpd/file2_cache.cc 12.24%
psi4/libdpd/file2_close.cc 83.33%
psi4/libdpd/file2_copy.cc 100.00%
psi4/libdpd/file2_dirprd.cc 100.00%
psi4/libdpd/file2_dot.cc 100.00%
psi4/libdpd/file2_dot_self.cc 100.00%
psi4/libdpd/file2_init.cc 90.48%
psi4/libdpd/file2_mat_close.cc 100.00%
psi4/libdpd/file2_mat_init.cc 100.00%
psi4/libdpd/file2_mat_print.cc 2.44%
psi4/libdpd/file2_mat_rd.cc 100.00%
psi4/libdpd/file2_mat_wrt.cc 83.33%
psi4/libdpd/file2_print.cc 5.26%
psi4/libdpd/file2_scm.cc 100.00%
psi4/libdpd/file2_trace.cc 100.00%
psi4/libdpd/file4_cache.cc 54.50%
psi4/libdpd/file4_close.cc 100.00%
psi4/libdpd/file4_init.cc 91.67%
psi4/libdpd/file4_init_nocache.cc 3.33%
psi4/libdpd/file4_mat_irrep_close.cc 100.00%
psi4/libdpd/file4_mat_irrep_init.cc 100.00%
psi4/libdpd/file4_mat_irrep_rd.cc 100.00%
psi4/libdpd/file4_mat_irrep_rd_block.cc 84.21%
psi4/libdpd/file4_mat_irrep_row_close.cc 100.00%
psi4/libdpd/file4_mat_irrep_row_init.cc 100.00%
psi4/libdpd/file4_mat_irrep_row_rd.cc 82.35%
psi4/libdpd/file4_mat_irrep_row_wrt.cc 84.21%
psi4/libdpd/file4_mat_irrep_row_zero.cc 100.00%
psi4/libdpd/file4_mat_irrep_wrt.cc 100.00%
psi4/libdpd/file4_mat_irrep_wrt_block.cc 76.19%
psi4/libdpd/file4_print.cc 4.55%
psi4/libdpd/init.cc 95.64%
psi4/libdpd/pairnum.cc 79.41%
psi4/libdpd/split.cc 41.18%
psi4/libdpd/trace42_13.cc 0.00%
psi4/libdpd/trans4_close.cc 100.00%
psi4/libdpd/trans4_init.cc 100.00%
psi4/libdpd/trans4_mat_irrep_close.cc 100.00%
psi4/libdpd/trans4_mat_irrep_init.cc 100.00%
psi4/libdpd/trans4_mat_irrep_rd.cc 100.00%
psi4/libdpd/trans4_mat_irrep_shift13.cc 94.29%
psi4/libdpd/trans4_mat_irrep_shift31.cc 95.65%
psi4/libdpd/trans4_mat_irrep_wrt.cc 100.00%
psi4/libfilesystem/path.cc 0.00%
psi4/libfilesystem/path.h 0.00%
psi4/libfock/CDJK.cc 84.62%
psi4/libfock/DirectJK.cc 91.84%
psi4/libfock/DiskDFJK.cc 87.28%
psi4/libfock/DiskJK.cc 84.01%
psi4/libfock/MemDFJK.cc 100.00%
psi4/libfock/PKJK.cc 97.96%
psi4/libfock/PK_workers.cc 40.63%
psi4/libfock/PK_workers.h 44.83%
psi4/libfock/PKmanagers.cc 35.39%
psi4/libfock/PKmanagers.h 50.00%
psi4/libfock/apps.cc 11.09%
psi4/libfock/apps.h 72.73%
psi4/libfock/cubature.cc 80.32%
psi4/libfock/cubature.h 80.00%
psi4/libfock/dft_integrators.h 100.00%
psi4/libfock/gridblocker.h 100.00%
psi4/libfock/hamiltonian.cc 39.59%
psi4/libfock/hamiltonian.h 66.67%
psi4/libfock/jk.cc 91.97%
psi4/libfock/jk.h 58.14%
psi4/libfock/points.cc 72.50%
psi4/libfock/points.h 72.22%
psi4/libfock/sap.cc 89.29%
psi4/libfock/solver.cc 37.43%
psi4/libfock/solver.h 24.32%
psi4/libfock/soscf.cc 79.53%
psi4/libfock/soscf.h 42.86%
psi4/libfock/v.cc 94.42%
psi4/libfock/v.h 50.00%
psi4/libfock/wrapper.cc 4.00%
psi4/libfunctional/LibXCfunctional.cc 81.86%
psi4/libfunctional/LibXCfunctional.h 100.00%
psi4/libfunctional/factory.cc 0.00%
psi4/libfunctional/functional.cc 80.95%
psi4/libfunctional/functional.h 52.00%
psi4/libfunctional/superfunctional.cc 86.40%
psi4/libfunctional/superfunctional.h 89.36%
psi4/libiwl/buf_close.cc 100.00%
psi4/libiwl/buf_fetch.cc 100.00%
psi4/libiwl/buf_flush.cc 94.44%
psi4/libiwl/buf_init.cc 87.76%
psi4/libiwl/buf_put.cc 100.00%
psi4/libiwl/buf_wrt.cc 3.70%
psi4/libiwl/buf_wrt_mat.cc 3.70%
psi4/libiwl/buf_wrt_val.cc 74.55%
psi4/libiwl/iwl.hpp 100.00%
psi4/libiwl/rdone.cc 42.11%
psi4/libiwl/wrtone.cc 0.00%
psi4/libmints/3coverlap.cc 94.00%
psi4/libmints/3coverlap.h 0.00%
psi4/libmints/angularmomentum.cc 96.52%
psi4/libmints/angularmomentum.h 0.00%
psi4/libmints/basisset.cc 79.20%
psi4/libmints/basisset.h 85.71%
psi4/libmints/benchmark.cc 86.59%
psi4/libmints/bessel.cc 92.77%
psi4/libmints/cartesianiter.cc 85.15%
psi4/libmints/cartesianiter.h 94.12%
psi4/libmints/cdsalclist.cc 84.46%
psi4/libmints/cdsalclist.h 77.78%
psi4/libmints/chartab.cc 70.15%
psi4/libmints/coordentry.cc 89.52%
psi4/libmints/coordentry.h 97.40%
psi4/libmints/corrtab.cc 73.53%
psi4/libmints/corrtab.h 50.00%
psi4/libmints/dcd.h 87.44%
psi4/libmints/deriv.cc 51.87%
psi4/libmints/deriv.h 50.00%
psi4/libmints/dimension.cc 48.24%
psi4/libmints/dimension.h 84.62%
psi4/libmints/dipole.cc 100.00%
psi4/libmints/dipole.h 0.00%
psi4/libmints/ecpint.cc 95.94%
psi4/libmints/ecpint.h 66.67%
psi4/libmints/electricfield.cc 96.50%
psi4/libmints/electricfield.h 92.86%
psi4/libmints/electrostatic.cc 84.91%
psi4/libmints/electrostatic.h 0.00%
psi4/libmints/element_to_Z.h 98.44%
psi4/libmints/eri.cc 44.72%
psi4/libmints/eri.h 33.33%
psi4/libmints/eribase.cc 93.15%
psi4/libmints/extern.cc 75.12%
psi4/libmints/extern.h 33.33%
psi4/libmints/factory.cc 61.54%
psi4/libmints/fjt.cc 0.28%
psi4/libmints/fjt.h 0.00%
psi4/libmints/gaussquad.cc 100.00%
psi4/libmints/gaussquad.h 100.00%
psi4/libmints/get_writer_file_prefix.cc 100.00%
psi4/libmints/gshell.cc 85.71%
psi4/libmints/gshell.h 82.35%
psi4/libmints/integral.cc 68.28%
psi4/libmints/integral.h 50.00%
psi4/libmints/integraliter.cc 67.37%
psi4/libmints/integralparameters.cc 0.00%
psi4/libmints/integralparameters.h 0.00%
psi4/libmints/intvector.cc 27.87%
psi4/libmints/irrep.cc 70.83%
psi4/libmints/kinetic.cc 100.00%
psi4/libmints/kinetic.h 0.00%
psi4/libmints/local.cc 0.33%
psi4/libmints/local.h 0.00%
psi4/libmints/maketab.cc 96.72%
psi4/libmints/matrix.cc 61.32%
psi4/libmints/matrix.h 70.00%
psi4/libmints/mintshelper.cc 77.80%
psi4/libmints/mintshelper.h 100.00%
psi4/libmints/molecule.cc 83.04%
psi4/libmints/molecule.h 91.43%
psi4/libmints/multiarr.h 100.00%
psi4/libmints/multipolepotential.cc 98.47%
psi4/libmints/multipoles.cc 99.13%
psi4/libmints/multipoles.h 0.00%
psi4/libmints/multipolesymmetry.cc 91.11%
psi4/libmints/multipolesymmetry.h 100.00%
psi4/libmints/nabla.cc 95.18%
psi4/libmints/nabla.h 0.00%
psi4/libmints/oeprop.cc 66.52%
psi4/libmints/oeprop.h 100.00%
psi4/libmints/onebody.cc 67.94%
psi4/libmints/onebody.h 50.00%
psi4/libmints/orbitalspace.cc 0.80%
psi4/libmints/orbitalspace.h 0.00%
psi4/libmints/orthog.cc 88.55%
psi4/libmints/orthog.h 100.00%
psi4/libmints/osrecur.cc 84.80%
psi4/libmints/osrecur.h 82.35%
psi4/libmints/overlap.cc 99.59%
psi4/libmints/overlap.h 0.00%
psi4/libmints/petitelist.cc 73.52%
psi4/libmints/petitelist.h 100.00%
psi4/libmints/pointgrp.cc 45.73%
psi4/libmints/pointgrp.h 94.23%
psi4/libmints/potential.cc 76.46%
psi4/libmints/potential.h 100.00%
psi4/libmints/potentialint.cc 20.00%
psi4/libmints/potentialint.h 0.00%
psi4/libmints/pseudospectral.cc 0.56%
psi4/libmints/pseudospectral.h 0.00%
psi4/libmints/psimath.cc 1.86%
psi4/libmints/quadrupole.cc 100.00%
psi4/libmints/rel_potential.cc 87.60%
psi4/libmints/rel_potential.h 50.00%
psi4/libmints/rep.cc 1.53%
psi4/libmints/shellrotation.cc 60.47%
psi4/libmints/shellrotation.h 100.00%
psi4/libmints/sieve.cc 46.96%
psi4/libmints/sieve.h 83.33%
psi4/libmints/sobasis.cc 76.02%
psi4/libmints/sobasis.h 100.00%
psi4/libmints/sointegral.cc 87.50%
psi4/libmints/sointegral_onebody.h 0.00%
psi4/libmints/sointegral_twobody.h 99.80%
psi4/libmints/solidharmonics.cc 97.96%
psi4/libmints/symop.cc 59.57%
psi4/libmints/tracelessquadrupole.cc 100.00%
psi4/libmints/transform.cc 95.08%
psi4/libmints/twobody.cc 42.98%
psi4/libmints/twobody.h 100.00%
psi4/libmints/typedefs.h 100.00%
psi4/libmints/vector.cc 62.87%
psi4/libmints/vector.h 63.16%
psi4/libmints/vector3.h 79.55%
psi4/libmints/vector3.i 100.00%
psi4/libmints/wavefunction.cc 76.40%
psi4/libmints/wavefunction.h 80.56%
psi4/libmints/writer.cc 9.56%
psi4/libmints/writer.h 20.00%
psi4/libmints/x2cint.cc 96.55%
psi4/libmoinfo/model_space.cc 4.76%
psi4/libmoinfo/model_space_build.cc 1.79%
psi4/libmoinfo/moinfo.cc 90.35%
psi4/libmoinfo/moinfo.h 97.67%
psi4/libmoinfo/moinfo_base.cc 36.96%
psi4/libmoinfo/moinfo_base.h 100.00%
psi4/libmoinfo/moinfo_mappings.cc 96.47%
psi4/libmoinfo/moinfo_model_space.cc 80.00%
psi4/libmoinfo/moinfo_scf.cc 93.75%
psi4/libmoinfo/moinfo_slaterdeterminant.cc 97.48%
psi4/libmoinfo/slater_determinant.cc 0.00%
psi4/libmoinfo/slater_determinant.h 0.00%
psi4/liboptions/liboptions.cc 56.06%
psi4/liboptions/liboptions.h 43.75%
psi4/liboptions/print.cc 53.09%
psi4/libplugin/close_plugin.cc 0.00%
psi4/libplugin/load_plugin.cc 3.33%
psi4/libplugin/plugin.h 0.00%
psi4/libpsi4util/PsiOutStream.cc 71.88%
psi4/libpsi4util/PsiOutStream.h 100.00%
psi4/libpsi4util/combinations.cc 100.00%
psi4/libpsi4util/exception.cc 36.67%
psi4/libpsi4util/exception.h 0.00%
psi4/libpsi4util/libpsi4util.h 100.00%
psi4/libpsi4util/memory_manager.cc 40.00%
psi4/libpsi4util/memory_manager.h 100.00%
psi4/libpsi4util/process.cc 75.76%
psi4/libpsi4util/process.h 100.00%
psi4/libpsi4util/stl_string.cc 81.48%
psi4/libpsio/aio_handler.cc 30.14%
psi4/libpsio/change_namespace.cc 94.44%
psi4/libpsio/close.cc 100.00%
psi4/libpsio/done.cc 55.56%
psi4/libpsio/error.cc 1.49%
psi4/libpsio/filemanager.cc 72.22%
psi4/libpsio/filescfg.cc 82.14%
psi4/libpsio/get_address.cc 100.00%
psi4/libpsio/get_filename.cc 43.24%
psi4/libpsio/get_global_address.cc 100.00%
psi4/libpsio/get_numvols.cc 55.56%
psi4/libpsio/get_volpath.cc 40.63%
psi4/libpsio/getpid.cc 83.33%
psi4/libpsio/init.cc 82.93%
psi4/libpsio/open.cc 50.56%
psi4/libpsio/open_check.cc 100.00%
psi4/libpsio/psio.hpp 57.14%
psi4/libpsio/read.cc 66.67%
psi4/libpsio/read_entry.cc 100.00%
psi4/libpsio/rename_file.cc 100.00%
psi4/libpsio/rw.cc 86.96%
psi4/libpsio/tocclean.cc 0.00%
psi4/libpsio/toclast.cc 100.00%
psi4/libpsio/toclen.cc 58.62%
psi4/libpsio/tocprint.cc 6.25%
psi4/libpsio/tocread.cc 100.00%
psi4/libpsio/tocscan.cc 92.86%
psi4/libpsio/tocwrite.cc 100.00%
psi4/libpsio/volseek.cc 75.00%
psi4/libpsio/write.cc 89.47%
psi4/libpsio/write_entry.cc 100.00%
psi4/libqt/3d_array.cc 0.00%
psi4/libqt/blas_intfc.cc 74.71%
psi4/libqt/blas_intfc23.cc 10.86%
psi4/libqt/cc_excited.cc 63.64%
psi4/libqt/david.cc 85.04%
psi4/libqt/dirprd_block.cc 100.00%
psi4/libqt/dot_block.cc 100.00%
psi4/libqt/dx_read.cc 1.41%
psi4/libqt/dx_write.cc 2.50%
psi4/libqt/fill_sym_matrix.cc 100.00%
psi4/libqt/invert.cc 90.00%
psi4/libqt/lapack_intfc.cc 6.29%
psi4/libqt/mat_print.cc 69.23%
psi4/libqt/newmm_rking.cc 65.95%
psi4/libqt/normalize.cc 0.00%
psi4/libqt/pople.cc 86.55%
psi4/libqt/probabil.cc 85.71%
psi4/libqt/ras_set.cc 79.50%
psi4/libqt/reorder_qt.cc 89.06%
psi4/libqt/schmidt.cc 100.00%
psi4/libqt/schmidt_add.cc 100.00%
psi4/libqt/solve_pep.cc 2.94%
psi4/libqt/timer.cc 29.87%
psi4/libsapt_solver/amplitudes.cc 91.74%
psi4/libsapt_solver/disp20.cc 44.19%
psi4/libsapt_solver/disp21.cc 88.89%
psi4/libsapt_solver/disp22sdq.cc 94.18%
psi4/libsapt_solver/disp22t.cc 87.83%
psi4/libsapt_solver/disp2ccd.cc 98.84%
psi4/libsapt_solver/disp30.cc 100.00%
psi4/libsapt_solver/elst10.cc 100.00%
psi4/libsapt_solver/elst12.cc 85.71%
psi4/libsapt_solver/elst13.cc 85.71%
psi4/libsapt_solver/exch-disp20.cc 92.55%
psi4/libsapt_solver/exch-disp30.cc 98.63%
psi4/libsapt_solver/exch-ind-disp30.cc 99.16%
psi4/libsapt_solver/exch-ind20.cc 95.89%
psi4/libsapt_solver/exch-ind30.cc 97.16%
psi4/libsapt_solver/exch10.cc 93.20%
psi4/libsapt_solver/exch11.cc 89.58%
psi4/libsapt_solver/exch12.cc 96.91%
psi4/libsapt_solver/fdds_disp.cc 92.38%
psi4/libsapt_solver/fdds_disp.h 100.00%
psi4/libsapt_solver/ind-disp30.cc 90.32%
psi4/libsapt_solver/ind20.cc 47.62%
psi4/libsapt_solver/ind22.cc 96.14%
psi4/libsapt_solver/ind30.cc 93.98%
psi4/libsapt_solver/sapt.cc 82.43%
psi4/libsapt_solver/sapt0.cc 67.84%
psi4/libsapt_solver/sapt0.h 100.00%
psi4/libsapt_solver/sapt2.cc 98.63%
psi4/libsapt_solver/sapt2p.cc 98.13%
psi4/libsapt_solver/sapt2p3.cc 96.96%
psi4/libsapt_solver/usapt0.cc 98.39%
psi4/libsapt_solver/utils.cc 75.35%
psi4/libscf_solver/cuhf.cc 80.08%
psi4/libscf_solver/frac.cc 91.04%
psi4/libscf_solver/hf.cc 85.27%
psi4/libscf_solver/hf.h 72.73%
psi4/libscf_solver/mom.cc 63.70%
psi4/libscf_solver/rhf.cc 91.10%
psi4/libscf_solver/rhf.h 0.00%
psi4/libscf_solver/rohf.cc 92.65%
psi4/libscf_solver/rohf.h 0.00%
psi4/libscf_solver/sad.cc 87.95%
psi4/libscf_solver/sad.h 62.50%
psi4/libscf_solver/stability.cc 87.18%
psi4/libscf_solver/stability.h 100.00%
psi4/libscf_solver/uhf.cc 90.75%
psi4/libscf_solver/uhf.h 0.00%
psi4/libtrans/fcidump_helper.cc 2.33%
psi4/libtrans/integraltransform.cc 84.25%
psi4/libtrans/integraltransform.h 42.31%
psi4/libtrans/integraltransform_dpd_id.cc 68.42%
psi4/libtrans/integraltransform_functors.h 77.14%
psi4/libtrans/integraltransform_moinfo.cc 64.33%
psi4/libtrans/integraltransform_oei.cc 84.62%
psi4/libtrans/integraltransform_sort_mo_tpdm.cc 83.92%
psi4/libtrans/integraltransform_sort_so_tei.cc 63.51%
psi4/libtrans/integraltransform_sort_so_tpdm.cc 100.00%
psi4/libtrans/integraltransform_tei.cc 100.00%
psi4/libtrans/integraltransform_tei_1st_half.cc 94.83%
psi4/libtrans/integraltransform_tei_2nd_half.cc 85.47%
psi4/libtrans/integraltransform_tpdm.cc 84.06%
psi4/libtrans/integraltransform_tpdm_restricted.cc 86.89%
psi4/libtrans/integraltransform_tpdm_unrestricted.cc 89.14%
psi4/libtrans/mospace.cc 78.57%
psi4/libtrans/mospace.h 36.36%
psi4/mcscf/algebra_interface.cc 0.00%
psi4/mcscf/block_matrix.cc 57.03%
psi4/mcscf/block_matrix.h 92.86%
psi4/mcscf/block_vector.cc 38.46%
psi4/mcscf/block_vector.h 100.00%
psi4/mcscf/matrix_base.cc 90.16%
psi4/mcscf/matrix_base.h 100.00%
psi4/mcscf/mcscf.cc 94.12%
psi4/mcscf/sblock_matrix.cc 65.67%
psi4/mcscf/sblock_matrix.h 100.00%
psi4/mcscf/sblock_vector.cc 54.29%
psi4/mcscf/sblock_vector.h 100.00%
psi4/mcscf/scf.cc 96.82%
psi4/mcscf/scf_F.cc 100.00%
psi4/mcscf/scf_Feff.cc 67.16%
psi4/mcscf/scf_G.cc 100.00%
psi4/mcscf/scf_S_inverse_sqrt.cc 100.00%
psi4/mcscf/scf_canonicalize_MO.cc 78.38%
psi4/mcscf/scf_check_orthonormality.cc 82.35%
psi4/mcscf/scf_compute_energy.cc 100.00%
psi4/mcscf/scf_density_matrix.cc 100.00%
psi4/mcscf/scf_diis.cc 100.00%
psi4/mcscf/scf_energy.cc 100.00%
psi4/mcscf/scf_guess_occupation.cc 96.55%
psi4/mcscf/scf_initial_guess.cc 100.00%
psi4/mcscf/scf_iterate_scf_equations.cc 93.33%
psi4/mcscf/scf_pairs.cc 100.00%
psi4/mcscf/scf_print_eigenvectors_and_MO.cc 100.00%
psi4/mcscf/scf_read_so_oei.cc 88.89%
psi4/mcscf/scf_read_so_tei.cc 95.86%
psi4/mcscf/scf_save_info.cc 75.00%
psi4/mcscf/vector_base.cc 27.27%
psi4/mcscf/vector_base.h 100.00%
psi4/mrcc/mrcc.cc 0.21%
psi4/occ/arrays.cc 14.20%
psi4/occ/arrays.h 60.00%
psi4/occ/cc_energy.cc 95.48%
psi4/occ/ccl_energy.cc 74.36%
psi4/occ/cepa_iterations.cc 95.56%
psi4/occ/coord_grad.cc 99.20%
psi4/occ/corr_tpdm.cc 83.78%
psi4/occ/dpd.cc 0.15%
psi4/occ/ekt_ea.cc 0.31%
psi4/occ/ekt_ip.cc 0.32%
psi4/occ/ep2_ip.cc 0.22%
psi4/occ/fock_alpha.cc 100.00%
psi4/occ/fock_beta.cc 100.00%
psi4/occ/get_moinfo.cc 81.92%
psi4/occ/gfock.cc 78.57%
psi4/occ/gfock_diag.cc 90.16%
psi4/occ/gfock_ea.cc 0.15%
psi4/occ/idp.cc 86.67%
psi4/occ/idp2.cc 88.75%
psi4/occ/iterate_t2o1_amplitudes.cc 100.00%
psi4/occ/kappa_msd.cc 71.88%
psi4/occ/kappa_orb_resp.cc 0.32%
psi4/occ/kappa_orb_resp_iter.cc 0.24%
psi4/occ/main.cc 100.00%
psi4/occ/manager.cc 81.44%
psi4/occ/mograd.cc 86.76%
psi4/occ/occ_iterations.cc 79.26%
psi4/occ/occwave.cc 77.86%
psi4/occ/ocepa_response_pdms.cc 94.50%
psi4/occ/omp2_ip_poles.cc 0.23%
psi4/occ/omp2_response_pdms.cc 97.98%
psi4/occ/omp3_g_int.cc 94.92%
psi4/occ/omp3_ip_poles.cc 0.23%
psi4/occ/omp3_response_pdms.cc 93.08%
psi4/occ/postprocessing.cc 98.39%
psi4/occ/second_order_opdm.cc 93.26%
psi4/occ/semi_canonic.cc 0.63%
psi4/occ/set_t2_amplitudes_mp2.cc 100.00%
psi4/occ/t1_1st.cc 1.18%
psi4/occ/t2_2nd_general.cc 100.00%
psi4/occ/t2_2nd_sc.cc 100.00%
psi4/occ/t2_amps.cc 99.19%
psi4/occ/tei_sort_iabc.cc 3.85%